1,3-benzodioxol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC3=C(C=C2)OCO3)C)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC3=C(C=C2)OCO3)C)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H21N3O5S/c1-14-21(31(27,28)24-10-9-16-5-3-4-6-18(16)12-24)15(2)25(23-14)22(26)17-7-8-19-20(11-17)30-13-29-19/h3-8,11H,9-10,12-13H2,1-2H3